8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine

C19H18N8O — CID 174584365

IUPAC8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine
SMILESCOc1ccccc1Nc1ncc2nc(-c3ccnc(N)n3)n(C3CC3)c2n1
InChIInChI=1S/C19H18N8O/c1-28-15-5-3-2-4-12(15)25-19-22-10-14-17(26-19)27(11-6-7-11)16(23-14)13-8-9-21-18(20)24-13/h2-5,8-11H,6-7H2,1H3,(H2,20,21,24)(H,22,25,26)
InChIKeyLSJJNILCYZRCIB-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.95
Rot. Bonds5

About 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine

8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine (PubChem CID 174584365) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine.

Molecular Properties

Compound Name8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine
PubChem CID174584365
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine
SMILESCOc1ccccc1Nc1ncc2nc(-c3ccnc(N)n3)n(C3CC3)c2n1
InChIInChI=1S/C19H18N8O/c1-28-15-5-3-2-4-12(15)25-19-22-10-14-17(26-19)27(11-6-7-11)16(23-14)13-8-9-21-18(20)24-13/h2-5,8-11H,6-7H2,1H3,(H2,20,21,24)(H,22,25,26)
InChIKeyLSJJNILCYZRCIB-UHFFFAOYSA-N
XLogP2.95
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

8-(2-aminopyrimidin-4-yl)-N-(3-chloro-2-fluorophenyl)-9-cyclopropylpurin-2-amine
CID 58441932
9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine
CID 24745012
8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine
CID 58441951
8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine
CID 24745640
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898785
N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine
CID 66503071
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 112897424
[2-(2-methoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299249
6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1382129
8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol
CID 174310496
2-[[5-chloro-2-(2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinic acid
CID 130296059
2-N-(2-methoxyphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112904592

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine?
The IUPAC name of 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine (CID 174584365) is 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine.
What is the SMILES notation for 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine?
The canonical SMILES for 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine is COc1ccccc1Nc1ncc2nc(-c3ccnc(N)n3)n(C3CC3)c2n1.
What is the InChIKey of 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine?
The InChIKey is LSJJNILCYZRCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-28-15-5-3-2-4-12(15)25-19-22-10-14-17(26-19)27(11-6-7-11)16(23-14)13-8-9-21-18(20)24-13/h2-5,8-11H,6-7H2,1H3,(H2,20,21,24)(H,22,25,26).
What are the key properties of 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine?
8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine has a molecular weight of 374.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine is sourced from PubChem (CID 174584365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).